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Substance Name: Isoflupredone [INN:BAN]
RN: 338-95-4
UNII: HYS0B45Z2S
InChIKey: WAIJIHDWAKJCBX-BULBTXNYSA-N

Note

  • 9 alpha-isomer is Fluprednisolone (MH).

Molecular Formula

  • C21-H27-F-O5

Molecular Weight

  • 378.4373
 
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Names and Synonyms

Results Name

  • Isoflupredone [INN:BAN]

Name of Substance

  • 9-Fluoroprednisolone
  • Isoflupredone [INN:BAN]

Synonyms

  • 9-Fluoroprednisolone
  • delta-Fluorocortisone
  • EINECS 206-422-3
  • Isoflupredona
  • Isoflupredona [Spanish]
  • Isoflupredone
  • Isoflupredonum
  • Isoflupredonum [Latin]
  • NSC 12174
  • UNII-HYS0B45Z2S

Systematic Names

  • Isoflupredone
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-, (11beta)-
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11beta,17,21-trihydroxy- (8CI)

Registry Numbers

CAS Registry Number

  • 338-95-4

FDA UNII

  • HYS0B45Z2S

System Generated Number

  • 0000338954

Structure Descriptors

InChI

1S/C21H27FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h5,7,9,14-16,23,25,27H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1

InChIKey

WAIJIHDWAKJCBX-BULBTXNYSA-N

Smiles

C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@@]43C)F)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 264.5 deg C   EXP
log P (octanol-water) 1.51 (none)   EXP
Water Solubility 214 mg/L 25 EST
Vapor Pressure 1.44E-13 mm Hg 25 EST
Henry's Law Constant 5.39E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.62E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.